@<TRIPOS>MOLECULE
DB04127
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.2289    -0.9192    -3.1894	P	1	noname	0.0149
2	O1    -2.0773    -2.0273    -3.5440	O.2	1	noname	-0.1967
3	O2    -0.7682    -1.0725    -1.7279	O.3	1	noname	-0.1525
4	O3     0.0011    -0.8974    -4.1157	O.3	1	noname	-0.1645
5	O4    -2.0123     0.3975    -3.3452	O.3	1	noname	-0.1645
6	C1     0.0684     0.0202    -1.3782	C.3	1	noname	0.0915
7	C2     0.5271    -0.1325     0.0770	C.3	1	noname	0.1137
8	O5     1.2581    -1.3349     0.2803	O.3	1	noname	-0.3414
9	C3     1.4976     0.9677     0.4938	C.3	1	noname	0.1135
10	C4     1.7618    -1.1391     1.5991	C.3	1	noname	0.1838
11	O6     0.7661     2.1110     0.9111	O.3	1	noname	-0.3873
12	C5     2.1775     0.3260     1.7068	C.3	1	noname	0.1331
13	O7     2.8962    -1.9690     1.8007	O.3	1	noname	-0.3656
14	O8     3.5870     0.4294     1.5690	O.3	1	noname	-0.3849
15	H1     0.8011    -0.8832    -3.5852	H	1	noname	0.2283
16	H2    -2.2219     0.7498    -2.4771	H	1	noname	0.2283
17	H3     0.9448    -0.0683    -2.0203	H	1	noname	0.0605
18	H4    -0.5667     0.9038    -1.4418	H	1	noname	0.0605
19	H5    -0.3771    -0.1692     0.6847	H	1	noname	0.0657
20	H6     2.1545     1.3525    -0.2862	H	1	noname	0.0658
21	H7     1.0108    -1.4542     2.3236	H	1	noname	0.0949
22	H8     0.7446     2.1446     1.8703	H	1	noname	0.2106
23	H9     1.9710     0.7997     2.6665	H	1	noname	0.0682
24	H10     3.0481    -2.0802     2.7420	H	1	noname	0.2134
25	H11     3.9922     0.4591     2.4388	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	12	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	12	23	1
24	13	24	1
25	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1